sodium 5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoate

Systemtic Name: sodium 5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoate Openeye Name: sodium 5-[5-(3-phenylpropyl)-2-thienyl]pentanoate CAS Name: sodium 5-[5-(3-phenylpropyl)-2-thiophenyl]pentanoate IUPAC Name: sodium 5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoate Traditional Name: sodium 5-[5-(3-phenylpropyl)-2-thienyl]valerate Formula: C18H21NaO2S MolecularWeight: 324.41291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=C(S2)CCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=C(S2)CCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C18H22O2S.Na/c19-18(20)12-5-4-10-16-13-14-17(21-16)11-6-9-15-7-2-1-3-8-15;/h1-3,7-8,13-14H,4-6,9-12H2,(H,19,20);/q;+1/p-1